Magnesium in PDB 8c40: 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide

The structure of 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide, PDB code: 8c40 was solved by B.A.Somsen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.57 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.141, 111.98, 62.806, 90, 90, 90
R / Rfree (%)	16.5 / 18.4

The binding sites of Magnesium atom in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide (pdb code 8c40). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide, PDB code: 8c40:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:8.4 occ:0.45 O A:HOH582 2.3 28.5 1.0 OE1 A:GLU2 2.6 16.0 1.0 O A:HOH422 2.7 15.7 1.0 CD A:GLU2 3.6 16.6 1.0 OE2 A:GLU2 4.0 15.3 1.0 O A:HOH583 4.5 15.6 1.0 O A:HOH685 4.6 22.2 1.0 CG A:GLU2 4.8 11.8 1.0 CA A:GLU2 4.9 9.8 1.0 N A:ARG3 5.0 11.4 1.0

Magnesium binding site 2 out of 4 in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:24.7 occ:1.00 O A:HOH420 2.1 28.1 1.0 O A:HOH473 2.1 41.0 1.0 O A:HOH639 2.2 32.4 1.0 OE2 A:GLU89 2.4 17.2 1.0 CD A:GLU89 3.4 12.0 1.0 O A:HOH525 4.0 30.9 1.0 CG A:GLU89 4.2 11.0 1.0 OE1 A:GLU89 4.3 13.1 1.0 NH1 A:ARG85 4.4 17.3 1.0 O A:HOH496 4.4 28.3 1.0 OE1 A:GLN93 4.5 15.1 1.0 O A:HOH633 4.6 31.0 1.0 CG A:GLU86 4.6 15.6 1.0 NE2 A:GLN93 4.8 14.3 1.0 CB A:GLU89 4.8 11.5 1.0 OG1 A:THR90 4.9 19.4 1.0

Magnesium binding site 3 out of 4 in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.0 occ:1.00 O A:HOH472 2.3 21.4 1.0 OE2 A:GLU188 2.3 16.7 1.0 CD A:GLU188 3.4 16.2 1.0 CG A:GLU188 3.8 14.0 1.0 OE1 A:GLU188 4.4 17.6 1.0 O A:HOH674 4.7 28.1 1.0

Magnesium binding site 4 out of 4 in the 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 14-3-3SIGMA Bound to Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:21.2 occ:1.00 O A:HOH570 2.3 40.3 1.0 O A:HOH503 2.4 32.6 1.0 OE1 A:GLU75 2.6 30.4 1.0 CD A:GLU75 3.8 23.2 1.0 CB A:GLU75 4.6 31.4 1.0 OE2 A:GLU75 4.6 34.1 1.0 O A:GLY73 4.7 37.0 1.0 CG A:GLU75 4.7 31.5 1.0 CA A:GLU75 5.0 27.5 1.0

B.A.Somsen, E.Sijbesma, S.Leysen, K.Honzejkova, E.J.Visser, P.J.Cossar, T.Obsil, L.Brunsveld, C.Ottmann. Molecular Basis and Dual Ligand Regulation of Tetrameric Estrogen Receptor Alpha /14-3-3 Zeta Protein Complex. J.Biol.Chem. V. 299 04855 2023.
ISSN: ESSN 1083-351X
PubMed: 37224961
DOI: 10.1016/J.JBC.2023.104855